tert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate

C19H28ClN3O3 — CID 55841892

IUPACtert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
SMILESCC(C(=O)Nc1cccc(Cl)c1)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H28ClN3O3/c1-13(17(24)21-16-7-5-6-14(20)12-16)23-10-8-15(9-11-23)22-18(25)26-19(2,3)4/h5-7,12-13,15H,8-11H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyGGFYWBOZRSIVCI-UHFFFAOYSA-N
MW381.90 g/mol
LogP3.66
Rot. Bonds4

About tert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate (PubChem CID 55841892) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
PubChem CID55841892
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC Nametert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
SMILESCC(C(=O)Nc1cccc(Cl)c1)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H28ClN3O3/c1-13(17(24)21-16-7-5-6-14(20)12-16)23-10-8-15(9-11-23)22-18(25)26-19(2,3)4/h5-7,12-13,15H,8-11H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyGGFYWBOZRSIVCI-UHFFFAOYSA-N
XLogP3.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
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tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate
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tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate
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N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
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N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
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N-(3-chlorophenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate (CID 55841892) is tert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate is CC(C(=O)Nc1cccc(Cl)c1)N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
The InChIKey is GGFYWBOZRSIVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O3/c1-13(17(24)21-16-7-5-6-14(20)12-16)23-10-8-15(9-11-23)22-18(25)26-19(2,3)4/h5-7,12-13,15H,8-11H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of tert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate has a molecular weight of 381.90 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 55841892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).